Molecule

ID:128649

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
InChIKey
SNQQPOLDUKLAAF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCc1ccccc1O
Isomeric Smiles
Oc1ccccc1CCCCCCCCC
Calculated Properties
JChem
Acid pKa
10.296632
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7396445
LogD (pH = 7.4)
5.739104
Log P
5.739651
Molar Refractivity
69.8881
Polarizability
27.476019
Polar Surface Area
20.23
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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